SCHEMBL4817042

SCHEMBL4817042

COC(=O)C1(Cc2ccccc2)CCCC1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.45
ALDH1A1 P00352 2/20 0.42
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
METAP2 P50579 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4812849 0.89 KDM4E (0.47) ADAM17ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4811587 0.89 ADAM17 (0.40) ADAM17ALDH1A1SMN1; SMN2KDM4ECYP3A4
SCHEMBL4817586 0.88 ADAM17 (0.43) ADAM17ALDH1A1TACR1TACR3ALOX15
SCHEMBL4806319 0.88 ALDH1A1 (0.39) ADAM17ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4811693 0.87 KDM4E (0.37) ADAM17ALDH1A1TACR1TACR3TSHR
SCHEMBL4813131 0.83 BCHE (0.43) ADAM17ALDH1A1TACR1TACR3MAPT
SCHEMBL4808773 0.83 ADAM17 (0.41) ADAM17ALDH1A1TACR1TACR3ALOX15
SCHEMBL4808147 0.83 ADAM17 (0.47) ADAM17ALDH1A1TACR1TACR3MAPT
SCHEMBL4808768 0.81 ADAM17 (0.41) ADAM17ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL4811142 0.81 OPRK1 (0.40) ADAM17MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388103-B2 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 US disclosed
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 ADAM17 2714/4885ALDH1A1 71/4885TACR1 1258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.